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Substance Name: 2-Propanamine, 1-((4-chlorophenyl)thio)-, hydrochloride
RN: 29670-17-5
InChIKey: FXXSWBRAUABKJM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-Cl-N-S.Cl-H

Molecular Weight

  • 238.181
 
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Names and Synonyms

Synonyms

  • 1-((4-Chlorophenyl)thio)-2-propanamine hydrochloride
  • C 2998-GO

Systematic Name

  • 2-Propanamine, 1-((4-chlorophenyl)thio)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 29670-17-5

System Generated Number

  • 0029670175

Molecular Formulas

Molecular Formula

  • C9-H12-Cl-N-S.Cl-H

Molecular Formula Fragments

  • C9-H12-Cl-N-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H12ClNS.ClH/c1-7(11)6-12-9-4-2-8(10)3-5-9;/h2-5,7H,6,11H2,1H3;1H

InChIKey

FXXSWBRAUABKJM-UHFFFAOYSA-N

Smiles

C([C@@H](C)N)Sc1ccc(cc1)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 100mg/kg (100mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 940, 1985.
mouse LD50 oral 600mg/kg (600mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 940, 1985.
rat LD50 oral 600mg/kg (600mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 940, 1985.